CID 92029219

Einecs 285-876-4

Structural Information

Molecular Formula
C19H25NO3
SMILES
CN1CC[C@]23CC(=CC[C@H]2[C@H]1CC4=C3C(=C(C=C4)OC)O)OC
InChI
InChI=1S/C19H25NO3/c1-20-9-8-19-11-13(22-2)5-6-14(19)15(20)10-12-4-7-16(23-3)18(21)17(12)19/h4-5,7,14-15,21H,6,8-11H2,1-3H3/t14-,15+,19-/m0/s1
InChIKey
FABLLHVODMNOPU-KHYOSLBOSA-N
Compound name
(1S,9R,10R)-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,12-tetraen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.18344 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.190716 175.9
[M+Na]+ 338.172658 182.5
[M-H]- 314.176164 178.8
[M+NH4]+ 333.217263 193.3
[M+K]+ 354.146598 178.1
[M+H-H2O]+ 298.180700 166.9
[M+HCOO]- 360.181641 187.2
[M+CH3COO]- 374.197291 185.2
[M+Na-2H]- 336.158106 179.5
[M]+ 315.18289142 174.4
[M]- 315.18398858 174.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.